3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N,2,2-trimethylpropanamide

C13H20Cl2N4O — CID 106280809

IUPAC3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N,2,2-trimethylpropanamide
SMILESCCNc1nc(NCC(C)(C)C(=O)NC)c(Cl)cc1Cl
InChIInChI=1S/C13H20Cl2N4O/c1-5-17-10-8(14)6-9(15)11(19-10)18-7-13(2,3)12(20)16-4/h6H,5,7H2,1-4H3,(H,16,20)(H2,17,18,19)
InChIKeyDKZZDWRHOOYRNY-UHFFFAOYSA-N
MW319.24 g/mol
LogP3.00
Rot. Bonds6

About 3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N,2,2-trimethylpropanamide

3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N,2,2-trimethylpropanamide (PubChem CID 106280809) has the molecular formula C13H20Cl2N4O and a molecular weight of 319.24 g/mol. Its IUPAC name is 3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N,2,2-trimethylpropanamide
PubChem CID106280809
Molecular FormulaC13H20Cl2N4O
Molecular Weight319.24 g/mol
Exact Mass318.10
IUPAC Name3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N,2,2-trimethylpropanamide
SMILESCCNc1nc(NCC(C)(C)C(=O)NC)c(Cl)cc1Cl
InChIInChI=1S/C13H20Cl2N4O/c1-5-17-10-8(14)6-9(15)11(19-10)18-7-13(2,3)12(20)16-4/h6H,5,7H2,1-4H3,(H,16,20)(H2,17,18,19)
InChIKeyDKZZDWRHOOYRNY-UHFFFAOYSA-N
XLogP3.00
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.24
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide
CID 106280708
3-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide
CID 106280673
3-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N,2,2-trimethylpropanamide
CID 106279604
2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-2-ethylbutan-1-ol
CID 102757921
3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-3-methylbutan-1-ol
CID 102760014
3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 114167654
3-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-N,2,2-trimethylpropanamide
CID 106280684
3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 103823307
3-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 106279614
1-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-2-methylpropan-2-ol
CID 102758667
3,5,6-trichloro-N-ethylpyridin-2-amine
CID 102750177
2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N-propylacetamide
CID 102756189

Frequently Asked Questions

What is the IUPAC name of 3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N,2,2-trimethylpropanamide (CID 106280809) is 3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N,2,2-trimethylpropanamide is CCNc1nc(NCC(C)(C)C(=O)NC)c(Cl)cc1Cl.
What is the InChIKey of 3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N,2,2-trimethylpropanamide?
The InChIKey is DKZZDWRHOOYRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N4O/c1-5-17-10-8(14)6-9(15)11(19-10)18-7-13(2,3)12(20)16-4/h6H,5,7H2,1-4H3,(H,16,20)(H2,17,18,19).
What are the key properties of 3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N,2,2-trimethylpropanamide?
3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N,2,2-trimethylpropanamide has a molecular weight of 319.24 g/mol, XLogP of 3.00, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 106280809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).